0 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 ALBB-032237 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.286 COC1=C(O)C=CC(SC#N)=C1 ALBB-025686 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.189 CNCC1=CC=CC(OC)=C1 ALBB-013359 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.189 CNCC1=CC=CC(OC)=C1 ALBB-013359 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.189 COC1=CC(CNN)=CC=C1 ALBB-012472 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.189 COC1=CC(N=S=O)=CC=C1 ALBB-026551 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.189 COC1=CC=CC(N=C=O)=C1 ALBB-007513 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.189 COC1=CC=CC(N=[N+]=[N-])=C1 ALBB-032809 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.192 CCNC1=CC(C)=C(C)C=C1 ALBB-012134 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.280 COC1=CC(CN)=CC=C1O ALBB-006263 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.49 CCC(O)C1=CC=C(O)C(OC)=C1 ALBB-025817 [0,1,0,0,0,0|0,0,2]=3 11 B13R1.49 COC(=O)C1=CC(OC)=[N+](C)C=C1 ALBB-028649 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.49 COC1=C(O)C=CC(C(O)C#N)=C1 ALBB-023630 [0,1,0,0,0,0|1,0,2]=4 13 B13R1.49 COC1=CC(C(=O)NN)=CC=C1O ALBB-001062 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 ALBB-027044 [0,1,0,0,0,0|1,0,1]=3 15 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 ALBB-010707 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.386 COC1=C(OC)C=C(\C=N\O)C=C1 ALBB-023265 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.386 COC1=CC=C(N=C=O)C=C1OC ALBB-007509 [0,1,0,0,0,0|2,0,1]=4 18 B13R2.449 CCCC1=CC=C2OCOC2=C1 ALBB-035773 [0,0,0,1,0,0|0,0,2]=3 19 B13R2.449 S=C=NC1=CC2=C(C=C1)OCO2 ALBB-003060 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.10 CCNC1=CC(C)=CC=C1 ALBB-020271 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.176 CCC1=CC(Cl)=C(O)C=C1 ALBB-032446 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.176 COC1=CC(N)=C(O)C=C1 ALBB-018182 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.176 O=CC1=CC(F)=C(O)C=C1 ALBB-006384 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.382 COC1=CC=CC(OCCN)=C1 ALBB-010365 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.367 CCC(=O)C1=CC=C(C)C(C)=C1 ALBB-002895 [1,1,0,0,0,0|1,0,1]=4 26 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 ALBB-026236 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 ALBB-026058 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.367 COC(=O)C1=CC(O)=C(C)C=C1 ALBB-013963 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.367 COC(=O)C1=CC=C(N)C(O)=C1 ALBB-010445 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.367 COC(=O)C1=CC=C(O)C(C)=C1 ALBB-013959 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 ALBB-019715 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.56 CNC1=CC(C(=O)O)=CC=C1O ALBB-025480 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 ALBB-014021 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.300 COC1=CC(C#N)=CC(Br)=C1O ALBB-008944 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.300 COC1=CC(C#N)=CC(I)=C1O ALBB-032704 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.300 COC1=CC(C=O)=CC(Cl)=C1O ALBB-026361 [1,1,0,0,0,0|1,0,0]=3 37 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O ALBB-001376 [1,1,0,0,0,0|1,0,0]=3 38 B14R1.358 COC(=O)C1=CC(OC)=C(O)C(N)=C1 ALBB-025468 [0,2,0,0,0,0|1,0,0]=3 39 B14R1.436 CCCC1=C(O)C=CC(C(=O)OC)=C1 ALBB-026276 [0,2,0,0,0,0|2,0,0]=4 40 B14R1.626 CCOC(=O)C1=CC=C(O)C(NC)=C1 ALBB-026278 [0,2,0,0,0,0|1,0,1]=4 41 B14R1.1864 CCC(N)C1=CC(OC)=C(OC)C=C1 ALBB-027096 [0,2,0,0,0,0|0,0,2]=4 42 B14R1.1864 COC1=C(OC)C=C(C(=O)CCl)C=C1 ALBB-018551 [0,2,0,0,0,0|1,0,1]=4 43 B14R1.1864 COC1=C(OC)C=C(C(=O)NN)C=C1 ALBB-025727 [0,2,0,0,0,0|2,0,0]=4 44 B14R1.1864 COC1=C(OC)C=C(\C(N)=N\O)C=C1 ALBB-034692 [0,2,0,0,0,0|2,0,0]=4 45 B14R1.1864 COC1=CC=C(C(=O)CBr)C=C1OC ALBB-020924 [0,2,0,0,0,0|1,0,1]=4 46 B14R1.3405 COC1=C(O)C=CC(NC(=O)CBr)=C1 ALBB-031561 [0,2,0,0,0,0|1,0,0]=3 47 B14R1.3651 COC1=C(OC)C=C(CC(C)O)C=C1 ALBB-025780 [0,2,0,0,0,0|0,0,2]=4 48 B14R1.793 COC1=C(OC)C=C(CCCN)C=C1 ALBB-027060 [0,2,0,0,0,0|0,0,2]=4 49 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O ALBB-013505 [0,2,0,0,0,0|0,0,1]=3 50 B14R2.966 NNC(=O)C1=CC=C2OCOC2=C1 ALBB-002492 [0,1,0,1,0,0|2,0,0]=4 51 B14R2.1008 N=C(N)NC1=CC=C2OCOC2=C1 ALBB-022162 [0,1,0,1,0,0|2,0,0]=4 52 B14R2.112 O\N=C\C1=CC2=C(C=C1)OCCO2 ALBB-033893 [0,1,0,1,0,0|2,0,0]=4 53 B14R2.583 CCCC1=CC2=C(C=C1N)OCO2 ALBB-024807 [0,1,0,1,0,0|0,0,2]=4 54 B14R2.991 OCCNC1=CC=C2OCOC2=C1 ALBB-022766 [0,1,0,1,0,0|1,0,1]=4